(1-phosphono-2-piperidin-1-ylethyl)phosphonic acid

C7H17NO6P2 — CID 13211566

IUPAC(1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
SMILESO=P(O)(O)C(CN1CCCCC1)P(=O)(O)O
InChIInChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)6-8-4-2-1-3-5-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)
InChIKeyFLLRODVSGMXRNN-UHFFFAOYSA-N
MW273.16 g/mol
LogP0.15
Rot. Bonds4

About (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid

(1-phosphono-2-piperidin-1-ylethyl)phosphonic acid (PubChem CID 13211566) has the molecular formula C7H17NO6P2 and a molecular weight of 273.16 g/mol. Its IUPAC name is (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
PubChem CID13211566
Molecular FormulaC7H17NO6P2
Molecular Weight273.16 g/mol
Exact Mass273.05
IUPAC Name(1-phosphono-2-piperidin-1-ylethyl)phosphonic acid
SMILESO=P(O)(O)C(CN1CCCCC1)P(=O)(O)O
InChIInChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)6-8-4-2-1-3-5-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14)
InChIKeyFLLRODVSGMXRNN-UHFFFAOYSA-N
XLogP0.15
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(Bis-phosphono-methyl)-piperidinium
CID 406061
Methyl(piperidin-1-ylmethyl)phosphinic acid
CID 691194
[(4-Methylpiperidin-1-yl)methylene]bis(phosphonic acid)
CID 10333474
[(2-Methylpiperidin-1-yl)methylene]bis(phosphonic acid)
CID 5276560
[(3-Methylpiperidin-1-yl)methylene]bis(phosphonic acid)
CID 11369317
[Phosphono(1-piperidyl)methyl]phosphonic acid
CID 5276537
Piperidin-1-ylmethylphosphonic acid
CID 4491457
[(4,4-Difluoropiperidin-1-yl)-phosphonomethyl]phosphonic acid
CID 14966715
Non-diphosphopyridine
CID 129720254
3-Piperidylpropane-1,2-diphosphonic acid
CID 4534880
Piperidin-1-ylmethyl-phosphinic acid
CID 6347386
1-Ethylpiperidine; oxophosphinous acid
CID 11171315

Frequently Asked Questions

What is the IUPAC name of (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
The IUPAC name of (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid (CID 13211566) is (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid.
What is the SMILES notation for (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
The canonical SMILES for (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid is O=P(O)(O)C(CN1CCCCC1)P(=O)(O)O.
What is the InChIKey of (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
The InChIKey is FLLRODVSGMXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)6-8-4-2-1-3-5-8/h7H,1-6H2,(H2,9,10,11)(H2,12,13,14).
What are the key properties of (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid?
(1-phosphono-2-piperidin-1-ylethyl)phosphonic acid has a molecular weight of 273.16 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphono-2-piperidin-1-ylethyl)phosphonic acid is sourced from PubChem (CID 13211566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).